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(2-(2-(Piperidin-1-yl)ethylamino)-3-fluorophenyl)methanol

HCID 57774402
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1cccc(F)c1NCCN1CCCCC1
InChIKey
MRJONFYYJGHXAJ-UHFFFAOYSA-N
Molecular formula
C14H21FN2O
Average molar mass
252.33 g/mol

Names & identifiers

Preferred name
(2-(2-(Piperidin-1-yl)ethylamino)-3-fluorophenyl)methanol
IUPAC
[3-fluoro-2-(2-piperidin-1-ylethylamino)phenyl]methanol

Names & synonyms

SCHEMBL2102065MRJONFYYJGHXAJ-UHFFFAOYSA-N(2-(2-(piperidin-1-yl)ethylamino)-3-fluorophenyl)methanol

Database identifiers

PubChem CID
57774402

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Formal charge
0
Complexity
234

Related reactions

4 records
New reaction record
HRID 1140202 reaction equation
HRID 1140202As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1218635 reaction equation
HRID 1218635As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1695928 reaction equation
HRID 1695928As productuspto-grants-2012_04
HRID 1695929 reaction equation
HRID 1695929As reactantuspto-grants-2012_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes